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5753-30-0

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Basic Information
CAS No.: 5753-30-0
Name: (2R,3S)-2-amino-3-hydroxy-succinic acid
Article Data: 36
Molecular Structure:
Molecular Structure of 5753-30-0 ((2R,3S)-2-amino-3-hydroxy-succinic acid)
Formula: C4H7NO5
Molecular Weight: 149.103
Synonyms: Asparticacid, 3-hydroxy-, D-erythro- (8CI);D-Aspartic acid, 3-hydroxy-, erythro-;NSC158204;erythro-b-Hydroxy-D-asparticacid;
Density: 1.738 g/cm3
Boiling Point: 368.7 °C at 760 mmHg
Flash Point: 176.8 °C
PSA: 120.85000
LogP: -1.45590
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Specification

The CAS register number of D-Aspartic acid,3-hydroxy-, (3S)- is 5753-30-0. It also can be called as (2R,3S)-2-amino-3-hydroxy-succinic acid and the IUPAC name about this chemical is 2-amino-3-hydroxybutanedioic acid. The molecular formula about this chemical is C4H7NO5 and the molecular weight is 149.10208.

Physical properties about D-Aspartic acid,3-hydroxy-, (3S)- are: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 65.07Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 28.69 cm3; (15)Molar Volume: 85.7 cm3; (16)Polarizability: 11.37x10-24cm3; (17)Surface Tension: 106.4 dyne/cm; (18)Enthalpy of Vaporization: 71.21 kJ/mol; (19)Boiling Point: 368.7 °C at 760 mmHg; (20)Vapour Pressure: 6.2E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C(O)C(=O)O
(2)InChI: InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
(3)InChIKey: YYLQUHNPNCGKJQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
(5)Std. InChIKey: YYLQUHNPNCGKJQ-UHFFFAOYSA-N